N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide

C15H25N3O2S — CID 79116756

IUPACN-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C15H25N3O2S/c1-16-13-6-8-15(9-7-13)18(2)21(19,20)12-10-14-5-3-4-11-17-14/h3-5,11,13,15-16H,6-10,12H2,1-2H3
InChIKeyBIGIDUCCRYXZCY-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.42
Rot. Bonds6

About N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide

N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide (PubChem CID 79116756) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
PubChem CID79116756
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide
SMILESCNC1CCC(N(C)S(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C15H25N3O2S/c1-16-13-6-8-15(9-7-13)18(2)21(19,20)12-10-14-5-3-4-11-17-14/h3-5,11,13,15-16H,6-10,12H2,1-2H3
InChIKeyBIGIDUCCRYXZCY-UHFFFAOYSA-N
XLogP1.42
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminocyclohexyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 79120995
N-(4-aminocyclohexyl)-N-ethyl-2-pyridin-2-ylethanesulfonamide
CID 79113990
N-(2-amino-1-cyclopropylethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 116652205
N-(2-aminoethyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 61349685
2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60864750
2-[cyclopropylmethyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60865091
N-(3-hydroxybutyl)-N-methyl-2-pyridin-2-ylethanesulfonamide
CID 115756308
1-cyclopropyl-N-methyl-N-[4-(methylamino)cyclohexyl]methanesulfonamide
CID 79122184
N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106607621
methyl 3-[ethyl(2-pyridin-2-ylethylsulfonyl)amino]propanoate
CID 61011191
N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 106630345
N-[1-(2-aminoethyl)piperidin-4-yl]-2-pyridin-2-ylethanesulfonamide
CID 63631308

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide (CID 79116756) is N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide is CNC1CCC(N(C)S(=O)(=O)CCc2ccccn2)CC1.
What is the InChIKey of N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide?
The InChIKey is BIGIDUCCRYXZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-16-13-6-8-15(9-7-13)18(2)21(19,20)12-10-14-5-3-4-11-17-14/h3-5,11,13,15-16H,6-10,12H2,1-2H3.
What are the key properties of N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide?
N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(methylamino)cyclohexyl]-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 79116756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).